4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C11H14F3N3O — CID 60725778

IUPAC4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-5-6-15-10(17-9)16-7-1-3-8(18)4-2-7/h5-8,18H,1-4H2,(H,15,16,17)
InChIKeyOOKCDWYULAFTQC-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.21
Rot. Bonds2

About 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 60725778) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID60725778
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-5-6-15-10(17-9)16-7-1-3-8(18)4-2-7/h5-8,18H,1-4H2,(H,15,16,17)
InChIKeyOOKCDWYULAFTQC-UHFFFAOYSA-N
XLogP2.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 60725778) is 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is OOKCDWYULAFTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)9-5-6-15-10(17-9)16-7-1-3-8(18)4-2-7/h5-8,18H,1-4H2,(H,15,16,17).
What are the key properties of 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 261.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 60725778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).